Amber

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Download and general information: http://ambermd.org

The Amber 10 molecular dynamics package has been installed on the SciNet GPC cluster, together with the amber tools package. In order to have access to this package, you need to "module load amber10" (best included in your .bashrc). This installation includes both serial and parallel (MPI) versions of amber. It was compiled with the Intel compilers, and uses the Intel MPI libraries.

A typical torque script for submitting a parallel Amber job is:

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